2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide

C15H19ClN4O — CID 119771640

IUPAC2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C15H19ClN4O/c1-3-10(2)14(17)15(21)19-11-5-6-13(12(16)9-11)20-8-4-7-18-20/h4-10,14H,3,17H2,1-2H3,(H,19,21)
InChIKeyVMHWFVUYQNSKMJ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.84
Rot. Bonds5

About 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide

2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide (PubChem CID 119771640) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
PubChem CID119771640
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1
InChIInChI=1S/C15H19ClN4O/c1-3-10(2)14(17)15(21)19-11-5-6-13(12(16)9-11)20-8-4-7-18-20/h4-10,14H,3,17H2,1-2H3,(H,19,21)
InChIKeyVMHWFVUYQNSKMJ-UHFFFAOYSA-N
XLogP2.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 119316621
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-chlorobenzoic acid
CID 61399074
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
1-(3-chloro-4-pyrazol-1-ylphenyl)-3-(3-hydroxy-4-methylpentyl)urea
CID 111474512
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 61180684
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110929101
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide (CID 119771640) is 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1.
What is the InChIKey of 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide?
The InChIKey is VMHWFVUYQNSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-10(2)14(17)15(21)19-11-5-6-13(12(16)9-11)20-8-4-7-18-20/h4-10,14H,3,17H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide?
2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide has a molecular weight of 306.80 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-pyrazol-1-ylphenyl)-3-methylpentanamide is sourced from PubChem (CID 119771640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).